Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 0MR

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 66


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 -1.544 2.53 0.997
2 C2 C C2 N Y N 0 -1.627 3.699 0.26
3 C3 C C3 N Y N 0 3.709 5.016 1.382
4 C4 C C4 N Y N 0 4.741 5.313 0.506
5 C5 C C5 N Y N 0 -2.474 1.527 0.815
6 C6 C C6 N Y N 0 -2.64 3.872 -0.663
7 C7 C C7 N Y N 0 3.226 3.717 1.418
8 C8 C C8 N Y N 0 1.931 -1.037 0.046
9 C9 C C9 N Y N 0 3.508 -3.188 -0.723
10 C10 C C10 N Y N 0 5.255 4.312 -0.303
11 C11 C C11 N Y N 0 -3.504 1.692 -0.109
12 C12 C C12 N Y N 0 -4.57 -0.689 0.379
13 C13 C C13 N Y N 0 1.386 -2.312 -0.016
14 C14 C C14 N Y N 0 3.266 -0.841 -0.277
15 C15 C C15 N Y N 0 4.053 -1.92 -0.661
16 C16 C C16 N Y N 0 -3.582 2.873 -0.855
17 C17 C C17 N Y N 0 2.179 -3.388 -0.396
18 C18 C C18 N Y N 0 -4.505 0.618 -0.309
19 C19 C C19 N Y N 0 3.787 2.762 0.573
20 C20 C C20 N Y N 0 -5.677 -1.274 -0.183
21 C21 C C21 N N N 0 -3.667 -1.232 1.407
22 C22 C C22 N N N 0 3.281 1.37 0.599
23 C23 C C23 N N N 0 -0.24 -2.101 1.685
24 C24 C C24 N N N 0 -0.837 -1.817 -0.648
25 C25 C C25 N N N 0 -1.672 -2.503 2.054
26 C26 C C26 N N N 0 -2.293 -2.208 -0.375
27 C27 C C27 N N N 0 -6.236 -2.636 0.138
28 C28 C C28 N N N 0 -4.597 4.275 -2.484
29 N29 N N29 N Y N 0 4.778 3.087 -0.248
30 N30 N N30 N Y N 0 -5.523 0.622 -1.132
31 N31 N N31 N N N 0 0.04 -2.513 0.303
32 N32 N N32 N N N 0 -2.587 -1.952 1.043
33 N33 N N33 N N N 0 3.82 0.442 -0.216
34 N34 N N34 N N N 1 5.476 -1.71 -1.011
35 O35 O O35 N N N -1 6.14 -2.634 -1.445
36 O36 O O36 N N N 0 -3.895 -1.03 2.585
37 O37 O O37 N N N 0 2.381 1.065 1.356
38 O38 O O38 N N N 0 5.984 -0.612 -0.865
39 O39 O O39 N Y N 0 -6.162 -0.4 -1.068
40 O40 O O40 N N N 0 -4.578 3.042 -1.762
41 CL4 CL CL4 N N N 0 1.498 -4.983 -0.475
42 H1 H H1 N N N 0 -0.746 2.4 1.713
43 H2 H H2 N N N 0 -0.895 4.48 0.408
44 H3 H H3 N N N 0 3.294 5.777 2.025
45 H4 H H4 N N N 0 5.14 6.315 0.453
46 H5 H H5 N N N 0 -2.404 0.614 1.388
47 H6 H H6 N N N 0 -2.699 4.786 -1.234
48 H7 H H7 N N N 0 2.426 3.449 2.093
49 H8 H H8 N N N 0 1.317 -0.199 0.34
50 H9 H H9 N N N 0 4.12 -4.024 -1.026
51 H10 H H10 N N N 0 6.059 4.54 -0.987
52 H11 H H11 N N N 0 -0.132 -1.02 1.771
53 H12 H H12 N N N 0 0.461 -2.592 2.36
54 H13 H H13 N N N 0 -0.568 -2.103 -1.665
55 H14 H H14 N N N 0 -0.72 -0.74 -0.53
56 H15 H H15 N N N 0 -1.755 -3.59 2.07
57 H16 H H16 N N N 0 -1.924 -2.1 3.035
58 H17 H H17 N N N 0 -2.956 -1.61 -1.0
59 H18 H H18 N N N 0 -2.437 -3.265 -0.596
60 H19 H H19 N N N 0 -6.962 -2.55 0.947
61 H20 H H20 N N N 0 -6.726 -3.045 -0.746
62 H21 H H21 N N N 0 -5.427 -3.298 0.444
63 H22 H H22 N N N 0 -4.695 5.104 -1.783
64 H23 H H23 N N N 0 -3.669 4.381 -3.045
65 H24 H H24 N N N 0 -5.442 4.28 -3.173
66 H25 H H25 N N N 0 4.591 0.664 -0.761